N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C23H16N4O2S2 — CID 46531645

IUPACN-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1
InChIInChI=1S/C23H16N4O2S2/c28-21(17-4-1-2-5-18(17)25-22(29)20-6-3-12-30-20)24-16-9-7-15(8-10-16)19-14-27-11-13-31-23(27)26-19/h1-14H,(H,24,28)(H,25,29)
InChIKeyYKSGGLVIAVOZON-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.63
Rot. Bonds5

About N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 46531645) has the molecular formula C23H16N4O2S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID46531645
Molecular FormulaC23H16N4O2S2
Molecular Weight444.54 g/mol
Exact Mass444.07
IUPAC NameN-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1
InChIInChI=1S/C23H16N4O2S2/c28-21(17-4-1-2-5-18(17)25-22(29)20-6-3-12-30-20)24-16-9-7-15(8-10-16)19-14-27-11-13-31-23(27)26-19/h1-14H,(H,24,28)(H,25,29)
InChIKeyYKSGGLVIAVOZON-UHFFFAOYSA-N
XLogP5.63
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55885204
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4877017
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29278545
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 46531645) is N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1.
What is the InChIKey of N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YKSGGLVIAVOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S2/c28-21(17-4-1-2-5-18(17)25-22(29)20-6-3-12-30-20)24-16-9-7-15(8-10-16)19-14-27-11-13-31-23(27)26-19/h1-14H,(H,24,28)(H,25,29).
What are the key properties of N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46531645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).